Advanced analytical tools for the estimation of gut permeability of compounds of pharmaceutical interest

A Biancolillo, L Mennitti, M Foschi, F Marini - Applied Sciences, 2022 - mdpi.com
Featured Application QSAR model for the determination of gut permeability of 228
pharmacological drugs at different pH conditions. Abstract The present study aims at …

QSAR-based permeability model for drug-like compounds

R Gozalbes, M Jacewicz, R Annand, K Tsaioun… - Bioorganic & medicinal …, 2011 - Elsevier
A QSAR model was developed for predicting intestinal drug permeability, one of the most
important parameters when evaluating compounds in drug discovery projects. First, a set of …

Permeability diagnosis model in drug discovery: a diagnostic tool to identify the most influencing properties for gastrointestinal permeability

J Wang, S Skolnik - Current Topics in Medicinal Chemistry, 2013 - ingentaconnect.com
Permeability is important in governing the ability of drug substances to transport across
gastrointestinal membrane and also crucial for proper drug distribution to pharmacological …

pH-permeability profiles for drug substances: Experimental detection, comparison with human intestinal absorption and modelling

M Oja, U Maran - European Journal of Pharmaceutical Sciences, 2018 - Elsevier
The influence of pH on human intestinal absorption is frequently not considered in early
drug discovery studies in the modelling and subsequent prediction of intestinal absorption …

The Permeability of an Artificial Membrane for Wide Range of pH in Human Gastrointestinal Tract: Experimental Measurements and Quantitative Structure Activity …

M Oja, U Maran - Molecular Informatics, 2015 - Wiley Online Library
In silico models for membrane permeability have been based on values measured for single
pH. Depending on the diet (fasted/fed state) and part of human intestine the range of pH …

IN VITRO AND IN SILICO APPROACHES FOR SCREENING INTESTINAL PERMEABILITY AND ABSORPTION OF DRUGS.

A Elgendy, A Adejare, A El-Rasoul… - Bulletin of …, 2024 - bpsa.journals.ekb.eg
Because the oral route of drug delivery is incomparable, screening of intestinal permeability
and absorption of drug candidates is a critical stage before clinical trials for time and cost …

Application of data mining approach to identify drug subclasses based on solubility and permeability

B Gatarić, J Parojčić - Biopharmaceutics & Drug Disposition, 2019 - Wiley Online Library
Solubility and permeability are recognized as key parameters governing drug intestinal
absorption and represent the basis for biopharmaceutics drug classification. The …

Integrating theoretical and experimental permeability estimations for provisional biopharmaceutical classification: Application to the WHO essential medicines

MÁ Cabrera‐Pérez, H Pham‐The… - … & Drug Disposition, 2018 - Wiley Online Library
The accuracy of the provisional estimation of the Biopharmaceutics Classification System
(BCS) is heavily influenced by the permeability measurement. In this study, several …

[HTML][HTML] Trivariate linear regression and machine learning prediction of possible roles of efflux transporters in estimated intestinal permeability values of 301 disparate …

M Shimizu, R Hayasaka, Y Kamiya… - Biological and …, 2022 - jstage.jst.go.jp
A system for predicting apparent bidirectional permeability (P app) across Caco-2 cells of
diverse chemicals has been reported. The present study aimed to investigate the …

Classification structure-activity relations (C-SAR) in prediction of human intestinal absorption

D Zmuidinavicius, R Didziapetris, P Japertas… - Journal of …, 2003 - Elsevier
ABSTRACT AB/HIA is a “soft” filter for identifying compounds with poor intestinal membrane
permeability. The analyzed data set included over 1000 drug‐like compounds with …